Determine the necessary mass, volume, or concentration for preparing a solution.
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10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Aceclofenac is a non-steroidal anti-inflammatory drug (NSAID) analog of Diclofenac.
An anti-inflammatory and analgesic agent
| ALogP | 4.3 |
|---|
| Canonical Smiles | C1=CC=C(C(=C1)CC(=O)OCC(=O)O)NC2=C(C=CC=C2Cl)Cl |
|---|---|
| IUPAC Name | 2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetic acid |
| InChIKey | MNIPYSSQXLZQLJ-UHFFFAOYSA-N |
| INCHI | 1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21) |
| Isomeric SMILES | C1=CC=C(C(=C1)CC(=O)OCC(=O)O)NC2=C(C=CC=C2Cl)Cl |
| WGK Germany | 3 |
| RTECS | CY1577900 |
| Molecular Weight | 354.18 |
| Reaxy-Rn | 4884476 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4884476&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Chlorobenzenes |
| Direct Parent | Dichlorobenzenes |
| Alternative Parents | Aniline and substituted anilines Dicarboxylic acids and derivatives Aryl chlorides Carboxylic acid esters Amino acids Secondary amines Carboxylic acids Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aniline or substituted anilines - 1,3-dichlorobenzene - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Amino acid or derivatives - Amino acid - Carboxylic acid ester - Carboxylic acid derivative - Secondary amine - Carboxylic acid - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it. |
| External Descriptors | monocarboxylic acid - carboxylic ester - secondary amino compound - dichlorobenzene - amino acid |
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| Refractive Index | 1.64 |
|---|---|
| Boil Point(°C) | ~486.0° C at 760 mmHg |
| Melt Point(°C) | 149-153°C |
| Molecular Weight | 354.200 g/mol |
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 353.022 Da |
| Monoisotopic Mass | 353.022 Da |
| Topological Polar Surface Area | 75.600 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 411.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Jinxiang Zuo, Donglei Fu, Pengwei Yan, Shuyu Wang, Yabin Li, Linlu Shen, Yizhen Cheng, Jimin Shen, Jing Kang, Zhonglin Chen. (2023) Synergistic mechanism of surface oxygen vacancies and metal sites on Al-substituted NiFe2O4 during peroxymonosulfate activation in the solid-water interface for 2,4-D degradation. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2023.147884] |
| 2. Jinxiang Zuo, Jimin Shen, Jing Kang, Pengwei Yan, Binyuan Wang, Shuyu Wang, Donglei Fu, Weiqiang Wang, Tianhao She, Shengxin Zhao, Zhonglin Chen. (2023) B-doped NiFe2Ox based on the activation of peroxymonosulfate for degrading 2,4-dichlorophenoxyacetic acid in water. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2023.141565] |
| 3. Longping Jiang, Wenqian Chen, Limin Zhou, Li Xu, Feiqiang He, Jerry Y.Y. Heng, Hamza Shehzad, Jinbo Ouyang. (2024) Uncovering crystal growth and regeneration mechanism to control crystal morphology: The case study of aceclofenac. SEPARATION AND PURIFICATION TECHNOLOGY, [PMID:] [10.1016/j.seppur.2024.127577] |
| 4. Longping Jiang, Mengmeng Wang, Wenqian Chen, Limin Zhou, Li Xu, Hamza Shehzad, Jinbo Ouyang. (2024) Uncovering the Influence Mechanism of Solvent on Crystal Morphology via a Combined Experimental and Theoretical Method: The Case of Aceclofenac. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, [PMID:] [10.1021/acs.iecr.4c01283] |
| 5. Zhiling Chen, Jie Song, Mingyue Zhang, Jie Ding, Can Wang, Zihan Xu, Pinming Liu, Tao Zhuang, Guisen Zhang. (2025) New drug-drug salts of palbociclib and nonsteroidal anti-inflammatory drugs with enhanced physicochemical properties and antitumor activities. JOURNAL OF MOLECULAR STRUCTURE, [PMID:] [10.1016/j.molstruc.2025.145019] |